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Trimipramine N-oxide

CAT: 0804-HY-147333-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147333-01Size:1 mg
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Description
Trimipramine N-oxide is an active metabolite of the tricyclic antidepressant trimipramine. Trimipramine N-oxide inhibits the human monoamine transporters for noradrenaline (hNAT), serotonin (hSERT), dopamine (hDAT) and the human organic cation transporters (hOCT1 and hOCT2) with IC50s of 11.7, 3.59, 9.4, 9.35 and 27.4 nM, respectively. Trimipramine N-oxide can be used for the research of depression and anxiety[1].
CAS Number
14171-70-1
UNSPSC
12352005
Hazard Statement
H302
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/trimipramine-n-oxide.html
Solubility
10 mM in DMSO
Smiles
[O-][N+](C)(CC(CN1C2=C(CCC3=C1C=CC=C3)C=CC=C2)C)C
Molecular Formula
C20H26N2O
Molecular Weight
310.43
Precautions
P264-P270-P330-P501
References & Citations
[1]Haenisch B, et al. Inhibitory potencies of trimipramine and its main metabolites at human monoamine and organic cation transporters. Psychopharmacology (Berl) . 2011 Sep;217 (2) :289-95.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Trimipramine N-oxide
CAS Number14171-70-1
PubChem CID14151360
IUPAC Name3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine oxide
Molecular FormulaC20H26N2O
Molecular Weight310.4
XLogP5.2
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity360
SMILES
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C20H26N2O/c1-16(15-22(2,3)23)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16H,12-15H2,1-3H3
InChIKey
UNOPAPJVNIQNJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimipramine N-oxide
CAS: 14171-70-1
CID: 14151360
Formula: C20H26N2O
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass310.204513457
Monoisotopic Mass310.204513457
Topological Polar Surface Area21.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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TRC-D231353-25MGN-Desmethyl Trimipramine Chloroethylformate
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